(4S)-7-(3-phenylphenyl)hept-2-en-4-ol

C19H22O — CID 91174797

IUPAC(4S)-7-(3-phenylphenyl)hept-2-en-4-ol
SMILESCC=C[C@@H](O)CCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H22O/c1-2-8-19(20)14-7-10-16-9-6-13-18(15-16)17-11-4-3-5-12-17/h2-6,8-9,11-13,15,19-20H,7,10,14H2,1H3/t19-/m1/s1
InChIKeyYFDMTASCNKKTNO-LJQANCHMSA-N
MW266.38 g/mol
LogP4.61
Rot. Bonds6

About (4S)-7-(3-phenylphenyl)hept-2-en-4-ol

(4S)-7-(3-phenylphenyl)hept-2-en-4-ol (PubChem CID 91174797) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (4S)-7-(3-phenylphenyl)hept-2-en-4-ol.

Molecular Properties

Compound Name(4S)-7-(3-phenylphenyl)hept-2-en-4-ol
PubChem CID91174797
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(4S)-7-(3-phenylphenyl)hept-2-en-4-ol
SMILESCC=C[C@@H](O)CCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H22O/c1-2-8-19(20)14-7-10-16-9-6-13-18(15-16)17-11-4-3-5-12-17/h2-6,8-9,11-13,15,19-20H,7,10,14H2,1H3/t19-/m1/s1
InChIKeyYFDMTASCNKKTNO-LJQANCHMSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-(3-phenylphenyl)hept-2-en-4-ol?
The IUPAC name of (4S)-7-(3-phenylphenyl)hept-2-en-4-ol (CID 91174797) is (4S)-7-(3-phenylphenyl)hept-2-en-4-ol.
What is the SMILES notation for (4S)-7-(3-phenylphenyl)hept-2-en-4-ol?
The canonical SMILES for (4S)-7-(3-phenylphenyl)hept-2-en-4-ol is CC=C[C@@H](O)CCCc1cccc(-c2ccccc2)c1.
What is the InChIKey of (4S)-7-(3-phenylphenyl)hept-2-en-4-ol?
The InChIKey is YFDMTASCNKKTNO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22O/c1-2-8-19(20)14-7-10-16-9-6-13-18(15-16)17-11-4-3-5-12-17/h2-6,8-9,11-13,15,19-20H,7,10,14H2,1H3/t19-/m1/s1.
What are the key properties of (4S)-7-(3-phenylphenyl)hept-2-en-4-ol?
(4S)-7-(3-phenylphenyl)hept-2-en-4-ol has a molecular weight of 266.38 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-(3-phenylphenyl)hept-2-en-4-ol is sourced from PubChem (CID 91174797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).